>>Firefly internally does not generate NTOs. You can generate them >>using transition density matrix.

>>Kind regards,>>Alex Granovsky>>>>>>>>On Wed Sep 2 '15 12:28pm, Siddheshwar Chopra wrote>>-------------------------------------------------->>>Dear All,>>>I want to get natural transition orbitals from TDDFT output. Could anyone tell the "commands" for the same in Firefly? Is there any software for plotting the same?